Geometry & MOs

Info

ID:	193353
PubChem CID:	78379730
Reduced:	CuN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	305.041287
ΔH_f, kcal/mol:	22.65
Dipole, Da:	5.67
IP(EA), eV:	-6.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(9-hydroxy-3-oxido-3-oxo-2,4,7-trioxa-3lambda5-phosphabicyclo[4.2.1]nonan-8-yl)-1H-pyrimidin-1-ium-2-one

Drug info:

PubChemData

Smile

C1C[N-]CC[N-]CC2=CC=CC=C2OCCOC3=CC=CC=C3C[N-]C1.O.[Cu+2]

DOS

IR

Vibrations